[(5-bromanyl-2-ethoxy-3,4,6-trimethyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(5-bromanyl-2-ethoxy-3,4,6-trimethyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(5-bromo-2-ethoxy-3,4,6-trimethyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[(5-bromo-2-ethoxy-3,4,6-trimethylphenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(5-bromo-2-ethoxy-3,4,6-trimethylphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(5-bromo-2-ethoxy-3,4,6-trimethyl-phenyl)thio]-phosphono-methyl]phosphonic acid Formula: C12H19BrO7P2S MolecularWeight: 449.191582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1C)C)Br)C)SC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCOC1=C(C(=C(C(=C1C)C)Br)C)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H19BrO7P2S/c1-5-20-10-7(3)6(2)9(13)8(4)11(10)23-12(21(14,15)16)22(17,18)19/h12H,5H2,1-4H3,(H2,14,15,16)(H2,17,18,19)